srDFT_G2/Ref/Molecules/g09/HOCl.inp

#p CCSD(T) cc-pVDZ pop=full gfprint

G2

0,1
O
H,1,OH
Cl,1,OCl,2,HOCl

OH=0.96804646
OCl=1.7074574
HOCl=102.46612245
g09 files 2019-03-25 22:47:41 +01:00			`#p CCSD(T) cc-pVDZ pop=full gfprint`
g09 input 2019-03-25 22:30:19 +01:00
			`G2`

			`0,1`
			`O`
			`H,1,OH`
			`Cl,1,OCl,2,HOCl`

			`OH=0.96804646`
			`OCl=1.7074574`
			`HOCl=102.46612245`